Compound Detail
CHEMBL1503523
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Basic Information
| ChEMBL ID | CHEMBL1503523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXLPMYLLCVSUNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.93
ALogP
6
HBA
2
HBD
99.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plectin CHEMBL1293240 | IC50 | 5.75 | 5.75 | 1771.2 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plectin | IC50 | = | 1771.16 | nM | 5.75 | PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1.... | - |
| SUMO-activating enzyme | IC50 | = | 1870.0 | nM | 5.73 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
Data from ChEMBL 36 via Core Engine